Compound Detail
CHEMBL242424
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Basic Information
| ChEMBL ID | CHEMBL242424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJHDOIIUJLKKAH-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
5.13
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 8.37 | 8.37 | 4.3 | 2 |
| Adenosine receptor A1 CHEMBL226 | Ki | 7.24 | 7.24 | 57.0 | 2 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.57 | 5.555 | 2680.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 4.3 | nM | 8.37 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 17665891 |
| Adenosine receptor A3 | Ki | = | 4.3 | nM | 8.37 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 18996701 |
| Adenosine receptor A1 | Ki | = | 57.0 | nM | 7.24 | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell... | 17665891 |
| Adenosine receptor A1 | Ki | = | 57.0 | nM | 7.24 | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell... | 18996701 |
| Adenosine receptor A2a | Ki | = | 2680.0 | nM | 5.57 | Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO ... | 18996701 |
| Adenosine receptor A2a | Ki | = | 2860.0 | nM | 5.54 | Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell... | 17665891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17665891 | 10.1021/jm070123v | Adenosine receptor A3 | 1 |
| 17665891 | 10.1021/jm070123v | Adenosine receptor A1 | 1 |
| 17665891 | 10.1021/jm070123v | Adenosine receptor A2a | 1 |
| 18996701 | 10.1016/j.bmc.2008.10.018 | Adenosine receptor A2a | 1 |
| 18996701 | 10.1016/j.bmc.2008.10.018 | Adenosine receptor A1 | 1 |
| 18996701 | 10.1016/j.bmc.2008.10.018 | Adenosine receptor A3 | 1 |
| 18996701 | 10.1016/j.bmc.2008.10.018 | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine